findtde

View on PyPIReverse Dependencies (0)

1.1.6 findtde-1.1.6-py3-none-any.whl
1.0.5 findtde-1.0.5-py3-none-any.whl

Wheel Details

Project: findtde
Version: 1.0.5
Filename: findtde-1.0.5-py3-none-any.whl
Download: [link]
Size: 36792
MD5: be0c88da6dde17afab145b19c6d2fa59
SHA256: a6ef046809408bcf46fbb3292bf916f22295908312ad3bcee5fa5e5f3978212a
Uploaded: 2024-07-17 19:00:17 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: findtde
Version: 1.0.5
Summary: Set of scripts to facilitate easy calculations of threshold displacement energies for materials in VASP/LAMMPS using ab initio/classical molecular dynamics.
Author-Email: Alexander Hauck <ash5615[at]psu.edu>
Project-Url: Homepage, https://findTDE.readthedocs.io/en/latest/
Project-Url: Repository, https://github.com/hauck-as/findTDE
License: MIT License Copyright (c) 2023 Alexander Hauck Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Requires-Dist: requests
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: plotly
Requires-Dist: pymatgen
Requires-Dist: fortranformat
Requires-Dist: importlib-metadata; python_version < "3.12"
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4191 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (70.3.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
docs/conf.py sha256=3Wa_erZ-H-_bZKVI1_Ckh_rf1EAi25GMTkwfU7W8Xrw 2509
findtde/__init__.py sha256=gT6_u4znXRcYuopQYFo4muEIOccz6Jr_UTSDIubes2E 424
findtde/defect_analysis.py sha256=A_L31ssXFV7vbjm0P9kTv7BtjyagCnJZ8KcPg8FoUOw 35236
findtde/io.py sha256=y3einj-dNRKaRDO57HakfBWVv4P8Bu8HaBnD7swVd90 4571
findtde/multi_tde.py sha256=x24wOkdHwffOQcpNFkfwBLUxmhI-MwS4XyP6M0J6CA8 14964
findtde/plotting.py sha256=NVj0-ilbz1l372TKVUWR5WOZYN5rN7lQQde-56C9mSM 7168
findtde/poscar2lmp.py sha256=Oxf7g9OzQU2BESH5ehi4arxpt8ARwUE0aLctN0KNWGE 4908
findtde/tde_analysis.py sha256=OQco050hkp5qqKeccNjGJLFBah0B3nVXuU-qmkIMsek 23950
findtde/utils.py sha256=G5vrNG9fKc-asR3t-jwNgZ0TbrHw9XfMt9Ev73H85n0 6901
findtde/vasp_vel_write.py sha256=CoBg2aLMSrZ0gEvMpQHqqKYddtiVrtEatlRpBy3u-20 8864
findtde/cli/__init__.py sha256=UxNdQYCBHqA6Jyn_R8qSEqPN4ZG-BpkkQ0i4Xsn-EjM 170
findtde/cli/main.py sha256=2lH3tW_tiIv0N0vdsNkrj1vZaHlmhLGY09KCqnumAJM 897
findtde/cli/main_functions.py sha256=Z0Ni7UQ9ti2NsMTT0xXasN0MIIjOZRkIIutCncG8dho 138
findtde-1.0.5.dist-info/LICENSE sha256=090FVQSZQ7kcz-x4ZVtY3kL_71uVroyp5NI5Wp5SuqI 1072
findtde-1.0.5.dist-info/METADATA sha256=_WXpnhajHVaSxC7I21QcJLtP9SLhoQQDFmLKE_CFabA 6442
findtde-1.0.5.dist-info/WHEEL sha256=Z4pYXqR_rTB7OWNDYFOm1qRk0RX6GFP2o8LgvP453Hk 91
findtde-1.0.5.dist-info/entry_points.txt sha256=vdLCqYByyBCqVurHgu67qO99tJ-CQMUdnXhHN87DJB4 51
findtde-1.0.5.dist-info/top_level.txt sha256=0wLpmOXxrOTEdmOFCke7OeKHDbsN0baMOzBWJPs_k0w 13
findtde-1.0.5.dist-info/RECORD

top_level.txt

docs
findtde

entry_points.txt

cli-name = findtde.cli.main:main